N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine

C8H12N2 — CID 170452531

IUPACN-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine
SMILESC=N/C=C\C1=C(C)CNC1
InChIInChI=1S/C8H12N2/c1-7-5-10-6-8(7)3-4-9-2/h3-4,10H,2,5-6H2,1H3/b4-3-
InChIKeyXJJOWZDJYMQRLV-ARJAWSKDSA-N
MW136.20 g/mol
LogP1.12
Rot. Bonds2

About N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine

N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine (PubChem CID 170452531) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine
PubChem CID170452531
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine
SMILESC=N/C=C\C1=C(C)CNC1
InChIInChI=1S/C8H12N2/c1-7-5-10-6-8(7)3-4-9-2/h3-4,10H,2,5-6H2,1H3/b4-3-
InChIKeyXJJOWZDJYMQRLV-ARJAWSKDSA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine (CID 170452531) is N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine is C=N/C=C\C1=C(C)CNC1.
What is the InChIKey of N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine?
The InChIKey is XJJOWZDJYMQRLV-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-5-10-6-8(7)3-4-9-2/h3-4,10H,2,5-6H2,1H3/b4-3-.
What are the key properties of N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine?
N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine has a molecular weight of 136.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine is sourced from PubChem (CID 170452531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).